3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C71H101N17O2S2 — CID 162205845

IUPAC3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cc2ncccn2n1.CC(C)c1cccs1.CC(C)c1cocn1.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1nc2ncccn2n1.CC(C)c1nccs1.CC(C)c1ncno1
InChIInChI=1S/2C10H16N2.C10H12N2.C9H11N3.C8H10N4.C7H10S.C6H9NO.C6H9NS.C5H8N2O/c3*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-6(2)7-10-8-9-4-3-5-12(8)11-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h2*7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyZSEGGPZQUMIKKW-UHFFFAOYSA-N
MW1288.84 g/mol
LogP18.74
Rot. Bonds9

About 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 162205845) has the molecular formula C71H101N17O2S2 and a molecular weight of 1288.84 g/mol. Its IUPAC name is 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID162205845
Molecular FormulaC71H101N17O2S2
Molecular Weight1288.84 g/mol
Exact Mass1287.78
IUPAC Name3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cc2ncccn2n1.CC(C)c1cccs1.CC(C)c1cocn1.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1nc2ncccn2n1.CC(C)c1nccs1.CC(C)c1ncno1
InChIInChI=1S/2C10H16N2.C10H12N2.C9H11N3.C8H10N4.C7H10S.C6H9NO.C6H9NS.C5H8N2O/c3*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-6(2)7-10-8-9-4-3-5-12(8)11-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h2*7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyZSEGGPZQUMIKKW-UHFFFAOYSA-N
XLogP18.74
TPSA237.15 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.84
LogP ≤ 518.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-methyl-1H-imidazole;4-methylisoquinoline;5-methylisoquinoline;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);4-methylquinoline;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 157174574
2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 157175362
3,5-dimethylpyridin-2-amine;4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;5-methyl-1H-imidazol-2-amine;4-methyl-1H-indazole;5-methyl-1H-indazole;3-methyl-1,2,4-oxadiazol-5-amine;4-methyl-1,3-oxazol-2-amine;5-methyl-1,3-oxazol-2-amine;5-methyl-1H-pyrazol-3-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 157196924
methylcyclopropane;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
CID 157715772
2-propan-2-yl-1,3-oxazole;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidine;2-propan-2-yl-1,3-thiazole
CID 157881159
3,5-dimethylpyridin-2-amine;4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;5-methyl-1H-imidazol-2-amine;4-methyl-1H-indazole;5-methyl-1H-indazole;3-methyl-1,2,4-oxadiazol-5-amine;4-methyl-1,3-oxazol-2-amine;5-methyl-1,3-oxazol-2-amine;5-methyl-1H-pyrazol-3-amine;4-methyl-1H-pyrazolo[3,4-b]pyridine;4-methyl-1H-pyrazolo[4,5-c]pyridine;4-methyl-1H-pyrazolo[5,4-c]pyridine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 157889030
2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole
CID 157998431
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158104076
6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);bis(4-propan-2-yl-1,3-oxazole);bis(5-propan-2-yl-1,3-oxazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158500783
4,5-dimethyl-1H-imidazol-2-amine;bis(4,5-dimethyl-1,3-oxazol-2-amine);4,5-dimethyl-1,3-thiazol-2-amine;5-fluoro-4-methyl-1H-indole;5-methyl-1H-imidazol-2-amine;4-methyl-1H-indazole;5-methyl-1H-indazole;4-methyl-1H-indole;5-methyl-1H-indole;3-methyl-1,2,4-oxadiazol-5-amine;4-methyl-1,3-oxazol-2-amine;5-methyl-1,3-oxazol-2-amine;4-methyl-1H-pyrazol-5-amine;5-methyl-1H-pyrazol-3-amine;4-methyl-1H-pyrazolo[3,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;4-methyl-1H-pyrazolo[4,5-c]pyridine;4-methyl-1H-pyrazolo[5,4-c]pyridine;4-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-1,3,4-thiadiazol-2-amine;3-methylthiophen-2-amine;4-methylthiophen-2-amine;5-methylthiophen-2-amine
CID 158503241
3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 158669316
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158678530

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 162205845) is 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2ncccn2n1.CC(C)c1cccs1.CC(C)c1cocn1.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1nc2ncccn2n1.CC(C)c1nccs1.CC(C)c1ncno1.
What is the InChIKey of 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZSEGGPZQUMIKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2.C10H12N2.C9H11N3.C8H10N4.C7H10S.C6H9NO.C6H9NS.C5H8N2O/c3*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-6(2)7-10-8-9-4-3-5-12(8)11-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h2*7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 1288.84 g/mol, XLogP of 18.74, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2H-indazole;5-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;bis(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162205845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).